1-Benzoyl-3-(3,4-dichlorophenyl)-3-(formylmethyl)pyrrolidine | 193755-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-Benzoyl-3-(3,4-dichlorophenyl)-3-(formylmethyl)pyrrolidine
• 英文别名: 2-[1-Benzoyl-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]acetaldehyde
• CAS: 193755-84-9
• 化学式: C₁₉H₁₇Cl₂NO₂
• 分子量: 362.255
• InChiKey: OIROANSQWLVDCB-UHFFFAOYSA-N

物化性质

• 沸点：
  522.9±50.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(氮杂环丁-3-基)吗啉盐酸盐 、 1-Benzoyl-3-(3,4-dichlorophenyl)-3-(formylmethyl)pyrrolidine 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 {3-(3,4-Dichloro-phenyl)-3-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-pyrrolidin-1-yl}-phenyl-methanone
  参考文献：
  名称：

  4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor

  摘要：

  A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00343-3
• 作为产物：
  描述：

  4-(3,4-dichloro-phenyl)-4-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-pyrrolidine 在 盐酸 、 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-Benzoyl-3-(3,4-dichlorophenyl)-3-(formylmethyl)pyrrolidine
  参考文献：
  名称：

  4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor

  摘要：

  A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00343-3

文献信息

• 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS
  申请人：Pfizer Research and Development Company, N.V./S.A.

  公开号：EP0871623B1

  公开（公告）日：2003-02-12
• US6242438B1
  申请人：——

  公开号：US6242438B1

  公开（公告）日：2001-06-05
• 4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor
  作者：A.Roderick MacKenzie、Allan P. Marchington、Donald S. Middleton、Sandra D. Newman、Christopher N. Selway、Nicholas K. Terrett

  DOI：10.1016/s0960-894x(03)00343-3

  日期：2003.7

  A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series. (C) 2003 Elsevier Science Ltd. All rights reserved.